2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole

C229H250F6N32S16 — CID 162201923

IUPAC2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole
SMILESCCCCCCCCCCc1nnc(-c2c(F)c(F)c(F)c3c(-c4nnc(CCCCCCCCC)s4)c(F)c(F)c(F)c23)s1.CCCCCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCCCCC)s5)ccc4cc3c2)s1.CCCCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCCCC)s5)ccc4cc3c2)s1.CCCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCCC)s5)ccc4cc3c2)s1.CCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCC)s5)ccc4cc3c2)s1.CCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCC)s5)ccc4cc3c2)s1.CCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCC)s5)ccc4cc3c2)s1.CCc1nnc(-c2ccc3cc4cc(-c5nnc(CC)s5)ccc4cc3c2)s1
InChIInChI=1S/C34H42N4S2.C33H40F6N4S2.C32H38N4S2.C30H34N4S2.C28H30N4S2.C26H26N4S2.C24H22N4S2.C22H18N4S2/c1-3-5-7-9-11-13-15-31-35-37-33(39-31)27-19-17-25-22-30-24-28(20-18-26(30)21-29(25)23-27)34-38-36-32(40-34)16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-41-43-33(45-21)25-23-22(26(34)31(39)29(25)37)24(28(36)30(38)27(23)35)32-42-40-20(44-32)18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-29-33-35-31(37-29)25-17-15-23-20-28-22-26(18-16-24(28)19-27(23)21-25)32-36-34-30(38-32)14-12-10-8-6-4-2;1-3-5-7-9-11-27-31-33-29(35-27)23-15-13-21-18-26-20-24(16-14-22(26)17-25(21)19-23)30-34-32-28(36-30)12-10-8-6-4-2;1-3-5-7-9-25-29-31-27(33-25)21-13-11-19-16-24-18-22(14-12-20(24)15-23(19)17-21)28-32-30-26(34-28)10-8-6-4-2;1-3-5-7-23-27-29-25(31-23)19-11-9-17-14-22-16-20(12-10-18(22)13-21(17)15-19)26-30-28-24(32-26)8-6-4-2;1-3-5-21-25-27-23(29-21)17-9-7-15-12-20-14-18(10-8-16(20)11-19(15)13-17)24-28-26-22(30-24)6-4-2;1-3-19-23-25-21(27-19)15-7-5-13-10-18-12-16(22-26-24-20(4-2)28-22)8-6-14(18)9-17(13)11-15/h17-24H,3-16H2,1-2H3;3-19H2,1-2H3;15-22H,3-14H2,1-2H3;13-20H,3-12H2,1-2H3;11-18H,3-10H2,1-2H3;9-16H,3-8H2,1-2H3;7-14H,3-6H2,1-2H3;5-12H,3-4H2,1-2H3
InChIKeyZRRVKWPCQKQBSI-UHFFFAOYSA-N
MW4077.80 g/mol
LogP71.16
Rot. Bonds89

About 2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole

2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole (PubChem CID 162201923) has the molecular formula C229H250F6N32S16 and a molecular weight of 4077.80 g/mol. Its IUPAC name is 2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole
PubChem CID162201923
Molecular FormulaC229H250F6N32S16
Molecular Weight4077.80 g/mol
Exact Mass4073.60
IUPAC Name2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole
SMILESCCCCCCCCCCc1nnc(-c2c(F)c(F)c(F)c3c(-c4nnc(CCCCCCCCC)s4)c(F)c(F)c(F)c23)s1.CCCCCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCCCCC)s5)ccc4cc3c2)s1.CCCCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCCCC)s5)ccc4cc3c2)s1.CCCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCCC)s5)ccc4cc3c2)s1.CCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCC)s5)ccc4cc3c2)s1.CCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCC)s5)ccc4cc3c2)s1.CCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCC)s5)ccc4cc3c2)s1.CCc1nnc(-c2ccc3cc4cc(-c5nnc(CC)s5)ccc4cc3c2)s1
InChIInChI=1S/C34H42N4S2.C33H40F6N4S2.C32H38N4S2.C30H34N4S2.C28H30N4S2.C26H26N4S2.C24H22N4S2.C22H18N4S2/c1-3-5-7-9-11-13-15-31-35-37-33(39-31)27-19-17-25-22-30-24-28(20-18-26(30)21-29(25)23-27)34-38-36-32(40-34)16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-41-43-33(45-21)25-23-22(26(34)31(39)29(25)37)24(28(36)30(38)27(23)35)32-42-40-20(44-32)18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-29-33-35-31(37-29)25-17-15-23-20-28-22-26(18-16-24(28)19-27(23)21-25)32-36-34-30(38-32)14-12-10-8-6-4-2;1-3-5-7-9-11-27-31-33-29(35-27)23-15-13-21-18-26-20-24(16-14-22(26)17-25(21)19-23)30-34-32-28(36-30)12-10-8-6-4-2;1-3-5-7-9-25-29-31-27(33-25)21-13-11-19-16-24-18-22(14-12-20(24)15-23(19)17-21)28-32-30-26(34-28)10-8-6-4-2;1-3-5-7-23-27-29-25(31-23)19-11-9-17-14-22-16-20(12-10-18(22)13-21(17)15-19)26-30-28-24(32-26)8-6-4-2;1-3-5-21-25-27-23(29-21)17-9-7-15-12-20-14-18(10-8-16(20)11-19(15)13-17)24-28-26-22(30-24)6-4-2;1-3-19-23-25-21(27-19)15-7-5-13-10-18-12-16(22-26-24-20(4-2)28-22)8-6-14(18)9-17(13)11-15/h17-24H,3-16H2,1-2H3;3-19H2,1-2H3;15-22H,3-14H2,1-2H3;13-20H,3-12H2,1-2H3;11-18H,3-10H2,1-2H3;9-16H,3-8H2,1-2H3;7-14H,3-6H2,1-2H3;5-12H,3-4H2,1-2H3
InChIKeyZRRVKWPCQKQBSI-UHFFFAOYSA-N
XLogP71.16
TPSA412.48 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds89
Heavy Atoms283
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004077.80
LogP ≤ 571.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole (CID 162201923) is 2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole is CCCCCCCCCCc1nnc(-c2c(F)c(F)c(F)c3c(-c4nnc(CCCCCCCCC)s4)c(F)c(F)c(F)c23)s1.CCCCCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCCCCC)s5)ccc4cc3c2)s1.CCCCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCCCC)s5)ccc4cc3c2)s1.CCCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCCC)s5)ccc4cc3c2)s1.CCCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCCC)s5)ccc4cc3c2)s1.CCCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCCC)s5)ccc4cc3c2)s1.CCCc1nnc(-c2ccc3cc4cc(-c5nnc(CCC)s5)ccc4cc3c2)s1.CCc1nnc(-c2ccc3cc4cc(-c5nnc(CC)s5)ccc4cc3c2)s1.
What is the InChIKey of 2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole?
The InChIKey is ZRRVKWPCQKQBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4S2.C33H40F6N4S2.C32H38N4S2.C30H34N4S2.C28H30N4S2.C26H26N4S2.C24H22N4S2.C22H18N4S2/c1-3-5-7-9-11-13-15-31-35-37-33(39-31)27-19-17-25-22-30-24-28(20-18-26(30)21-29(25)23-27)34-38-36-32(40-34)16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-41-43-33(45-21)25-23-22(26(34)31(39)29(25)37)24(28(36)30(38)27(23)35)32-42-40-20(44-32)18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-29-33-35-31(37-29)25-17-15-23-20-28-22-26(18-16-24(28)19-27(23)21-25)32-36-34-30(38-32)14-12-10-8-6-4-2;1-3-5-7-9-11-27-31-33-29(35-27)23-15-13-21-18-26-20-24(16-14-22(26)17-25(21)19-23)30-34-32-28(36-30)12-10-8-6-4-2;1-3-5-7-9-25-29-31-27(33-25)21-13-11-19-16-24-18-22(14-12-20(24)15-23(19)17-21)28-32-30-26(34-28)10-8-6-4-2;1-3-5-7-23-27-29-25(31-23)19-11-9-17-14-22-16-20(12-10-18(22)13-21(17)15-19)26-30-28-24(32-26)8-6-4-2;1-3-5-21-25-27-23(29-21)17-9-7-15-12-20-14-18(10-8-16(20)11-19(15)13-17)24-28-26-22(30-24)6-4-2;1-3-19-23-25-21(27-19)15-7-5-13-10-18-12-16(22-26-24-20(4-2)28-22)8-6-14(18)9-17(13)11-15/h17-24H,3-16H2,1-2H3;3-19H2,1-2H3;15-22H,3-14H2,1-2H3;13-20H,3-12H2,1-2H3;11-18H,3-10H2,1-2H3;9-16H,3-8H2,1-2H3;7-14H,3-6H2,1-2H3;5-12H,3-4H2,1-2H3.
What are the key properties of 2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole?
2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole has a molecular weight of 4077.80 g/mol, XLogP of 71.16, 89 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 162201923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).